Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7001196 | 0.99 | PARP1 (0.41) | PARP1SCN8ANOS1PDGFRBKDR | |
| SCHEMBL6994032 | 0.89 | LMNA (0.42) | PARP1PDGFRBKDRL3MBTL1MAPK1 | |
| Hydrochloric Acid SCHEMBL6996205 | 0.88 | PARP1 (0.41) | PARP1PDGFRBKDRMAPK1 | |
| Hydrochloric Acid SCHEMBL7713373 | 0.86 | PARP1 (0.53) | PARP1PDGFRBKDRATM | |
| SCHEMBL7002470 | 0.86 | PARP1 (0.42) | PARP1NOS1PDGFRBKDRNOS3 | |
| Hydrochloric Acid SCHEMBL6996848 | 0.85 | PARP1 (0.41) | PARP1NOS1PDGFRBKDRNOS3 | |
| Hydrochloric Acid SCHEMBL6999647 | 0.84 | SCN8A (0.42) | PARP1SCN8ANOS1NOS2 | |
| Hydrochloric Acid SCHEMBL6310054 | 0.84 | PARP1 (0.42) | PARP1 | |
| SCHEMBL7002617 | 0.84 | PARP1 (0.41) | PARP1SCN8APDGFRBKDRMAPK1 | |
| SCHEMBL6998348 | 0.84 | KDM4E (0.45) | PARP1SCN8APDGFRBKDR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | claimed |